2-(2-bromo-5-tert-butyl-3-pyrimidin-2-ylphenyl)pyrimidine

C18H17BrN4 — CID 102082127

IUPAC2-(2-bromo-5-tert-butyl-3-pyrimidin-2-ylphenyl)pyrimidine
SMILESCC(C)(C)c1cc(-c2ncccn2)c(Br)c(-c2ncccn2)c1
InChIInChI=1S/C18H17BrN4/c1-18(2,3)12-10-13(16-20-6-4-7-21-16)15(19)14(11-12)17-22-8-5-9-23-17/h4-11H,1-3H3
InChIKeyJNXONBYOJRXZED-UHFFFAOYSA-N
MW369.27 g/mol
LogP4.66
Rot. Bonds2

About 2-(2-bromo-5-tert-butyl-3-pyrimidin-2-ylphenyl)pyrimidine

2-(2-bromo-5-tert-butyl-3-pyrimidin-2-ylphenyl)pyrimidine (PubChem CID 102082127) has the molecular formula C18H17BrN4 and a molecular weight of 369.27 g/mol. Its IUPAC name is 2-(2-bromo-5-tert-butyl-3-pyrimidin-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(2-bromo-5-tert-butyl-3-pyrimidin-2-ylphenyl)pyrimidine
PubChem CID102082127
Molecular FormulaC18H17BrN4
Molecular Weight369.27 g/mol
Exact Mass368.06
IUPAC Name2-(2-bromo-5-tert-butyl-3-pyrimidin-2-ylphenyl)pyrimidine
SMILESCC(C)(C)c1cc(-c2ncccn2)c(Br)c(-c2ncccn2)c1
InChIInChI=1S/C18H17BrN4/c1-18(2,3)12-10-13(16-20-6-4-7-21-16)15(19)14(11-12)17-22-8-5-9-23-17/h4-11H,1-3H3
InChIKeyJNXONBYOJRXZED-UHFFFAOYSA-N
XLogP4.66
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.27
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-tert-butyl-5-pyrimidin-2-ylbenzene-6-id-1-yl)pyrimidine;chloroplatinum(1+)
CID 21024864
2-pyrimidin-2-yl-4-(trifluoromethyl)phenolate
CID 153435357
2-[5-tert-butyl-2-(4-tert-butyl-2-pyridin-2-ylphenyl)phenyl]pyridine
CID 155908951
10,20-ditert-butyl-15-azapentacyclo[12.7.1.02,7.08,13.018,22]docosa-1(22),2,4,6,8(13),9,11,14,16,18,20-undecaene
CID 162474300
2-(2,4,5-trifluorophenyl)pyrimidine;dihydrochloride
CID 139780205
2-(5-tert-butyl-3-fluoro-2-methylphenyl)pyridine
CID 164927236
4-tert-butyl-6-pyrimidin-2-ylpyrimidine
CID 162488354
2-(3-tert-butyl-2-methoxyphenyl)pyrimidine
CID 118462786
N-(2-amino-4-bromo-6-pyrimidin-2-ylphenyl)-2,2-dimethylpropanamide
CID 89172260
terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
4-tert-butyl-N-(4-tert-butylbenzoyl)-N-pyrimidin-2-ylbenzamide
CID 3310322
2-[3,5-di(pyrimidin-2-yl)phenyl]pyrimidine
CID 59133455

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-tert-butyl-3-pyrimidin-2-ylphenyl)pyrimidine?
The IUPAC name of 2-(2-bromo-5-tert-butyl-3-pyrimidin-2-ylphenyl)pyrimidine (CID 102082127) is 2-(2-bromo-5-tert-butyl-3-pyrimidin-2-ylphenyl)pyrimidine.
What is the SMILES notation for 2-(2-bromo-5-tert-butyl-3-pyrimidin-2-ylphenyl)pyrimidine?
The canonical SMILES for 2-(2-bromo-5-tert-butyl-3-pyrimidin-2-ylphenyl)pyrimidine is CC(C)(C)c1cc(-c2ncccn2)c(Br)c(-c2ncccn2)c1.
What is the InChIKey of 2-(2-bromo-5-tert-butyl-3-pyrimidin-2-ylphenyl)pyrimidine?
The InChIKey is JNXONBYOJRXZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17BrN4/c1-18(2,3)12-10-13(16-20-6-4-7-21-16)15(19)14(11-12)17-22-8-5-9-23-17/h4-11H,1-3H3.
What are the key properties of 2-(2-bromo-5-tert-butyl-3-pyrimidin-2-ylphenyl)pyrimidine?
2-(2-bromo-5-tert-butyl-3-pyrimidin-2-ylphenyl)pyrimidine has a molecular weight of 369.27 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-tert-butyl-3-pyrimidin-2-ylphenyl)pyrimidine is sourced from PubChem (CID 102082127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).